Hibbitts Catalysis Lab

Hibbitts Catalysis Lab in Chem. Engr. at Univ. of Florida. Computational Catalysis Interface. Kinetic and Isotopic Studies Lab

[Hibbitts Catalysis Lab @HibbittsCatLab]

Lauren will be starting her PhD at @PurdueCatalysis in August!

[Hibbitts Catalysis Lab @HibbittsCatLab]

I’m happy to share some important news from our group...

[Hibbitts Catalysis Lab @HibbittsCatLab]

Undergraduate researcher Lauren Kilburn has recently published a first author manuscript with @DrMykelaDeLuca and @ajhoffman1229 looking at mechanisms of diene formation in zeolite catalysts! Check it out here: https://t.co/b0KtIU7SyD

[Hibbitts Catalysis Lab @HibbittsCatLab]

Hibbitts Research Group is seeking a Post-doc to work on a project sponsored by and in collaboration with @exxonmobil. Combine DFT, KMC, and machine learning to selectively dehydrogenate light alkanes.

[Hibbitts Catalysis Lab @HibbittsCatLab]

@pauldauenhauer For PET/PUR you just want monomers, use solvolysis. For PE/PP/PS the monomers are not going to form from pyrolysis and you want better control over C-length to target wax or lubricants or fuel. For PVC pyrolysis must be preceded by dechlorination. Catalysts have their place.

[UF Chemical Engineering @UFLChE]

Charles Hages @HagesLab receives @NSF Career Award to create new semiconductor material for clean and renewable solar energy. 🔗 https://t.co/Yr26XDLgpm

[Hibbitts Catalysis Lab @HibbittsCatLab]

Our theory work shows that Co titrants preferentially occupy Al pairs in 5- and 6-MR and that these Al pairs can form with only organic TPA+ structure-directing agents, consistent with experimental synthesis.

[Hibbitts Catalysis Lab @HibbittsCatLab]

Our paper with the Gounder group on Al distributions in MFI zeolites, with @CNimlos leading experiments and @ajhoffman1229 leading DFT efforts, is out in @ChemMater! See more here: https://t.co/mClb8NKSIe

[Hibbitts Catalysis Lab @HibbittsCatLab]

@ACSCATLDivision

@secatsoc

@SouthwestCatSoc

@GPCatalysisSoc

#Chemistry #Chemtwitter #DFT #KineticMonteCarlo #Zeolites

[Hibbitts Catalysis Lab @HibbittsCatLab]

This Monday @catclubchi RSVP: https://t.co/0sqoAwsD1E
I'm going to talk about modeling reactions and diffusion of aromatic compounds in zeolites (DFT+KMC)! Methanol-to-olefins and BTX chemistry like xylene production.

We think benzene accelerates nearby surface methylation (1/6)

[Hibbitts Catalysis Lab @HibbittsCatLab]

The KMC code is also super fast. We can model networks with thousands of reactions in micron-thick zeolite crystals for a week of time-on-stream, allowing us to see long-time evolutions of the zeolite crystal and things like induction and deactivation. (6/6)
See more Monday:

[Hibbitts Catalysis Lab @HibbittsCatLab]

These findings are relevant practically for designing automobile three-way catalyst for NO reduction, as NO activation is believed to control the rate of the reactions that occur inside the catalytic converter.

[Hibbitts Catalysis Lab @HibbittsCatLab]

Our recent @JPhysChem paper by @KravchenkoPavlo elucidates NO activation mechanisms, as well as effects of coverage and particle morphology on Rh-Catalyzed NO-H2 reactions. Check out more: https://t.co/R1j9uohkhL

[Catalysis Club of Chicago @CatClubChi]

Are you a fan of catalysis? Does simulation of kinetics and transport effects get you excited? How about arene methylation? Come join the Catalysis Club of Chicago for a seminar by Prof. David Hibbitts on Monday the 12th! RSVP here: https://t.co/LyBo6e5AHQ @HibbittsCatLab

[CISTAR.US @CISTAR_ERC]

Today we are sending out congrats to CISTAR REU and @UFLChE student, Lauren Kilburn as she received one of the top 5 presentation awards out of 84 students from Purdue's virtual SURF program. Great job, Lauren! @PurdueCatalysis @HibbittsCatLab

[Hibbitts Catalysis Lab @HibbittsCatLab]

@Flaherty_Lab @J_A_C_S Hey, that paper looks familiar...